element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:02      -37.018453         0.268338
BFGS:    1 15:42:02      -37.021430         0.249343
BFGS:    2 15:42:02      -37.039997         0.003314
BFGS:    3 15:42:02      -37.040000         0.000060
BFGS:    4 15:42:02      -37.040000         0.000000
BFGS:    5 15:42:02      -37.040000         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.4504018609175417e-31 eV/Angstrom
Maximum stress component: 2.553646781373561e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.28336555e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.45492886e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.430949778405207, 1.1582167615403765e-33, -1.7683792884677605e-34], [7.566467703482126e-34, 5.430949778405207, 1.771005541973303e-19], [-1.3027465860098177e-33, 1.7710055419732956e-19, 5.430949778405207]])
forces =  [[ 1.00412437e-31  4.91602554e-32  7.25200930e-32]
 [ 2.23138748e-32 -1.00412437e-31 -1.67354061e-32]
 [ 1.11569374e-32  2.37935397e-66 -3.63282627e-67]
 [-5.57846870e-33 -4.46277496e-32 -1.95246404e-32]
 [-5.57846870e-32 -5.45733217e-52 -1.67354061e-32]
 [ 6.13631557e-32  1.45040186e-31  1.33883249e-31]
 [-3.20761950e-32  6.97308587e-34  3.27735036e-32]
 [-4.46277496e-32 -6.35422450e-32  3.34708122e-32]]
stress =  [-2.55364678e-15 -2.55364678e-15 -2.55364678e-15  1.32658103e-31
  3.41600460e-65 -8.80340456e-65]
energy per atom =  -4.629999999911665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0